2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide

C24H25ClN2O3S — CID 38009566

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-18-8-10-20(11-9-18)16-26(3)24(28)17-27(23-7-5-4-6-19(23)2)31(29,30)22-14-12-21(25)13-15-22/h4-15H,16-17H2,1-3H3
InChIKeyZCYLDAKBXWEFTK-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.81
Rot. Bonds7

About 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 38009566) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID38009566
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-18-8-10-20(11-9-18)16-26(3)24(28)17-27(23-7-5-4-6-19(23)2)31(29,30)22-14-12-21(25)13-15-22/h4-15H,16-17H2,1-3H3
InChIKeyZCYLDAKBXWEFTK-UHFFFAOYSA-N
XLogP4.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 92676647
N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 5094263
N-[(4-chlorophenyl)methyl]-N-methyl-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 46763476
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-benzyl-N-methylacetamide
CID 30169202
2-[(4-chlorophenyl)methyl-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-ethylbutanamide
CID 132689069
2-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-methylbutanamide
CID 132686744
N-[(4-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-methylacetamide
CID 30397568
2-[(4-chlorophenyl)methyl-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-ethylpropanamide
CID 132686648
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 30304869
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]butanamide
CID 132746834
(2R)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 100560508
(2R)-N-tert-butyl-2-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 125068821

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 38009566) is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is ZCYLDAKBXWEFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-18-8-10-20(11-9-18)16-26(3)24(28)17-27(23-7-5-4-6-19(23)2)31(29,30)22-14-12-21(25)13-15-22/h4-15H,16-17H2,1-3H3.
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 457.00 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 38009566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).